Geometry & MOs

Info

ID:	304024
PubChem CID:	124491436
Reduced:	O2N5C11H17 (1)
Stoich.:	A2B5C11D17 (1)
Weight, g/mol:	251.138225
ΔH_f, kcal/mol:	-22.16
Dipole, Da:	4.52
IP(EA), eV:	-9.27(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

morpholin-4-yl-[1-[(3S)-pyrrolidin-3-yl]triazol-4-yl]methanone

Drug info:

PubChemData

Smile

C1CNC[C@@H]1N2C=C(N=N2)C(=O)N3CCOCC3

DOS

IR

Vibrations